[4-[[3,4-bis(bromanyl)phenyl]carbonyl-propyl-amino]-3-(methylamino)cyclohexyl] ethanoate

Systemtic Name: [4-[[3,4-bis(bromanyl)phenyl]carbonyl-propyl-amino]-3-(methylamino)cyclohexyl] ethanoate Openeye Name: [4-[(3,4-dibromobenzoyl)-propyl-amino]-3-(methylamino)cyclohexyl] acetate CAS Name: acetic acid [4-[[(3,4-dibromophenyl)-oxomethyl]-propylamino]-3-(methylamino)cyclohexyl] ester IUPAC Name: [4-[(3,4-dibromobenzoyl)-propylamino]-3-(methylamino)cyclohexyl] acetate Traditional Name: acetic acid [4-[(3,4-dibromobenzoyl)-propyl-amino]-3-(methylamino)cyclohexyl] ester Formula: C19H26Br2N2O3 MolecularWeight: 490.22934

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1CCC(CC1NC)OC(=O)C)C(=O)C2=CC(=C(C=C2)Br)Br

Isomeric SMILES

CCCN(C1CCC(CC1NC)OC(=O)C)C(=O)C2=CC(=C(C=C2)Br)Br

InChI

InChI=1S/C19H26Br2N2O3/c1-4-9-23(19(25)13-5-7-15(20)16(21)10-13)18-8-6-14(26-12(2)24)11-17(18)22-3/h5,7,10,14,17-18,22H,4,6,8-9,11H2,1-3H3